SCHEMBL8995627

SCHEMBL8995627

CCCCCC=C1C=CC=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MGLL Q99685 2/20 0.39
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
TSHR P16473 2/20 0.37
PPARG P37231 3/20 0.35
FFAR1 O14842 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8831765 0.98 NFKB1 (0.42) NFKB1NFKB2RELAMGLLFAAH
Methylamine SCHEMBL27504132 0.88 NFKB1 (0.34) NFKB1NFKB2RELAMGLLFAAH
Ethylamine SCHEMBL27838288 0.86 NFKB1 (0.33) NFKB1NFKB2RELAMGLLFAAH
SCHEMBL9080971 0.74
SCHEMBL27571420 0.73 NFKB1 (0.38) NFKB1NFKB2RELAMGLLFAAH
SCHEMBL10637390 0.71 NFKB1 (0.37) NFKB1NFKB2RELAMGLLFAAH
SCHEMBL3679463 0.66 TRPV1 (0.73) FAAHTRPV1TSHRPPARGFFAR1
SCHEMBL30105511 0.66 TRPV1 (0.73) FAAHTRPV1TSHRPPARGFFAR1
SCHEMBL3682342 0.66 TRPV1 (0.73) FAAHTRPV1TSHRPPARGFFAR1
SCHEMBL3682356 0.66 TRPV1 (0.73) FAAHTRPV1TSHRPPARGFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102190687-B Configuration-limited carbon-bridged single metallocene compound and preparation and application thereof PETROCHINA CO LTD 2014-11-19 CN disclosed
CN-102190749-B Ethylene/alpha-olefin copolymerization method PETROCHINA CO LTD 2013-02-20 CN disclosed
CN-101434668-B Polyolefins MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-02-22 CN disclosed
CN-102190749-A Ethylene/alpha-olefin copolymerization method PETROCHINA CO LTD 2011-09-21 CN disclosed
CN-102190687-A Configuration-limited carbon-bridged single metallocene compound and preparation and application thereof PETROCHINA CO LTD 2011-09-21 CN disclosed
CN-101434668-A Polyolefins MITSUI CHEMICALS INC (JP) 2009-05-20 CN disclosed
CN-100434433-C Metallocene compound and preparation method thereof, olefin polymerization catalyst, polyolefin and preparation method thereof MITSUI CHEMICALS INC (JP) 2008-11-19 CN disclosed
CN-1228288-C Catalyst system for trimerisation of olefins STICHTING DUTCH POLYMER INST (NL) 2005-11-23 CN disclosed
CN-1492847-A Catalyst system for trimerisation of olefins ˹�ٴĶ������ۺ���ѧ�� 2004-04-28 CN disclosed
CN-1327448-A Metallocene compound and preparation method thereof, olefin polymerization catalyst, polyolefin and preparation method thereof MITSUI CHEMICALS INC (JP) 2001-12-19 CN disclosed
US-5565534-A POLYMERIZING OLEFIN IN PRESENCE OF STEREORIGID METALLOCENE HOECHST AG (DE) 1996-10-15 US disclosed